N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C13H12N4O2 — CID 116786757

IUPACN-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cccnn1)C1CNc2ccccc2O1
InChIInChI=1S/C13H12N4O2/c18-13(16-12-6-3-7-15-17-12)11-8-14-9-4-1-2-5-10(9)19-11/h1-7,11,14H,8H2,(H,16,17,18)
InChIKeyWJXRDBKJXLHJJY-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.29
Rot. Bonds2

About N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 116786757) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID116786757
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1cccnn1)C1CNc2ccccc2O1
InChIInChI=1S/C13H12N4O2/c18-13(16-12-6-3-7-15-17-12)11-8-14-9-4-1-2-5-10(9)19-11/h1-7,11,14H,8H2,(H,16,17,18)
InChIKeyWJXRDBKJXLHJJY-UHFFFAOYSA-N
XLogP1.29
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786941
N-(1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 55215106
N-(1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43540252
N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43100505
N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79240195
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24701248
N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24694997
N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43242556
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43500038
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 116786757) is N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(Nc1cccnn1)C1CNc2ccccc2O1.
What is the InChIKey of N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is WJXRDBKJXLHJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-13(16-12-6-3-7-15-17-12)11-8-14-9-4-1-2-5-10(9)19-11/h1-7,11,14H,8H2,(H,16,17,18).
What are the key properties of N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 116786757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).